(3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one

C10H14O2 — CID 10855854

IUPAC(3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one
SMILESC=C(C)[C@H]1CC[C@@]12CCOC2=O
InChIInChI=1S/C10H14O2/c1-7(2)8-3-4-10(8)5-6-12-9(10)11/h8H,1,3-6H2,2H3/t8-,10-/m1/s1
InChIKeyYJXZGUNJMGGQJZ-PSASIEDQSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds1

About (3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one

(3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one (PubChem CID 10855854) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name(3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one
PubChem CID10855854
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one
SMILESC=C(C)[C@H]1CC[C@@]12CCOC2=O
InChIInChI=1S/C10H14O2/c1-7(2)8-3-4-10(8)5-6-12-9(10)11/h8H,1,3-6H2,2H3/t8-,10-/m1/s1
InChIKeyYJXZGUNJMGGQJZ-PSASIEDQSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(1R,2R)-3,3-dimethyl-2-(3-oxobutyl)cyclobutyl]pent-4-enyl acetate
CID 14682851
2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 2-methylpropanoate
CID 162982040
2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl 3-methylbutanoate
CID 163034239
2-[(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclobutyl]ethyl (2R)-2-methylbutanoate
CID 163189059
methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420347
methyl 2-[(1S)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420348
3-(2-Neopentylallyl)tetrahydrofuran-2,5-dione
CID 2775293
2(3H)-Furanone, 4,5-dihydro-4-(2-methyl-3-methylenebut-4-yl)-
CID 549665
2-((1R,2R)-1-Methyl-2-(prop-1-en-2-yl)cyclobutyl)ethyl 3-methylbutanoate
CID 91694410
2-((1R,2R)-1-Methyl-2-(prop-1-en-2-yl)cyclobutyl)ethyl isobutyrate
CID 91694411
2-((1R,2R)-1-Methyl-2-(prop-1-en-2-yl)cyclobutyl)ethyl propionate
CID 91694420
2-((1R,2R)-1-Methyl-2-(prop-1-en-2-yl)cyclobutyl)ethyl 2-methylbutanoate
CID 91694421

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one?
The IUPAC name of (3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one (CID 10855854) is (3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one.
What is the SMILES notation for (3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one?
The canonical SMILES for (3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one is C=C(C)[C@H]1CC[C@@]12CCOC2=O.
What is the InChIKey of (3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one?
The InChIKey is YJXZGUNJMGGQJZ-PSASIEDQSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)8-3-4-10(8)5-6-12-9(10)11/h8H,1,3-6H2,2H3/t8-,10-/m1/s1.
What are the key properties of (3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one?
(3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one has a molecular weight of 166.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-prop-1-en-2-yl-6-oxaspiro[3.4]octan-5-one is sourced from PubChem (CID 10855854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).